Anataselike Grain Boundary Structure in Rutile Titanium Dioxide.

ABSTRACT: The formation of nanoscale phases at grain boundaries in polycrystalline materials has attracted much attention, since it offers a route toward targeted and controlled design of interface properties. However, understanding structure-property relationships at these complex interfacial defects is hampered by the great challenge of accurately determining their atomic structure. Here, we combine advanced electron microscopy together with ab initio random structure searching to determine the atomic structure of an experimentally fabricated Σ13 (221) [11̅0] grain boundary in rutile TiO₂. Through careful analysis of the atomic structure and complementary electron energy-loss spectroscopy analysis we identify the existence of a unique nanoscale phase at the grain boundary with st

SUBMITTER: Schusteritsch G 

PROVIDER: S-EPMC8155194 | biostudies-literature | 2021 Apr

REPOSITORIES: biostudies-literature